8-(3,5-difluoro-4-morpholin-4-ylmethyl-phenyl)-2-[4-(4-methyl-piperazin-1-yl)-phenyl]-quinoxaline | 1092499-82-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 8-(3,5-difluoro-4-morpholin-4-ylmethyl-phenyl)-2-[4-(4-methyl-piperazin-1-yl)-phenyl]-quinoxaline
• 英文别名: 4-(2,6-Difluoro-4-(3-(4-(4-methylpiperazin-1-yl)phenyl)quinoxalin-5-yl)benzyl)morpholine；4-[[2,6-difluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]methyl]morpholine
• CAS: 1092499-82-5
• 化学式: C₃₀H₃₁F₂N₅O
• 分子量: 515.606
• InChiKey: LBZZVBOHWAZYRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  44.7
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  8-bromo-2-[4-(4-methyl-piperazin-1-yl)-phenyl]-quinoxaline 、 4-[2,6-difluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-morpholine 在 2-双环己基膦-2',6'-二甲氧基联苯 、 palladium diacetate potassium phosphate 、 水 、 碳酸氢钠 作用下， 以 乙二醇二甲醚 、 二氯甲烷 、 水 为溶剂， 反应 12.0h， 生成 8-(3,5-difluoro-4-morpholin-4-ylmethyl-phenyl)-2-[4-(4-methyl-piperazin-1-yl)-phenyl]-quinoxaline
  参考文献：
  名称：

  WO2008/148867

  摘要：

  公开号：

文献信息

• [EN] COMPOUNDS AND METHODS OF TREATING CANCERS<br/>[FR] COMPOSÉS ET MÉTHODES DE TRAITEMENT DE CANCERS
  申请人：CULLGEN SHANGHAI INC

  公开号：WO2020200291A1

  公开（公告）日：2020-10-08

  This disclosure relates to heterobifunctional compounds (e.g., bi-functional small molecule compounds), compositions comprising one or more of the heterobifunctional compounds, and to methods of use the heterobifunctional compounds for the treatment of certain disease in a subject in need thereof. The disclosure also relates to methods for identifying such heterobifunctional compounds.

  这份披露涉及异双功能化合物（例如，双功能小分子化合物），包括一种或多种异双功能化合物的组合物，以及使用这些异双功能化合物治疗患有特定疾病的需要该类治疗的受试者的方法。该披露还涉及识别此类异双功能化合物的方法。
• Quinoxaline derivatives as tyrosine kinase activity inhibitors
  申请人：Novartis AG

  公开号：US08193189B2

  公开（公告）日：2012-06-05

  The present invention relates to quinoxaline compound of the formula (I): wherein R1 is carbocyclyl or heterocyclyl, either of which is optionally substituted with 1, 2, 3, 4 or 5 R7; R2 is carbocyclyl or heterocyclyl, either of which is optionally substituted with 1, 2, 3, 4 or 5 R8; R3, R4, R5 and R6 are each independently hydrogen or R9; and R7, R8 and R9 are each independently selected from organic and inorganic substituents, their use in therapy of diseases, in particular diseases mediated by the tyrosine kinase activity of Janus kinases, including JAK-2 and JAK-3 kinases.

  本发明涉及公式（I）的喹喔啉化合物：其中，R1是碳环或杂环，其中任意一个可以用1、2、3、4或5个R7取代；R2是碳环或杂环，其中任意一个可以用1、2、3、4或5个R8取代；R3、R4、R5和R6各自独立地是氢或R9；而R7、R8和R9各自独立地选自有机和无机取代基，它们用于治疗疾病，特别是由Janus激酶的酪氨酸激酶活性介导的疾病，包括JAK-2和JAK-3激酶。
• Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors
  申请人：Gerspacher Marc

  公开号：US20100168062A1

  公开（公告）日：2010-07-01

  The present invention relates to quinoxaline compound of the formula (I): wherein R 1 is carbocyclyl or heterocyclyl, either of which is optionally substituted with 1, 2, 3, 4 or 5 R 7 ; R 2 is carbocyclyl or heterocyclyl, either of which is optionally substituted with 1, 2, 3, 4 or 5 R 8 ; R 3 , R 4 , R 5 and R 8 are each independently hydrogen or R 9 ; and R 7 , R 8 and R 9 are each independently selected from organic and inorganic substituents, their use in therapy of diseases, in particular diseases mediated by the tyrosine kinase activity of Janus kinases, including JAK-2 and JAK-3 kinases.

  本发明涉及式（I）的喹喔啉化合物：其中R1是碳环或杂环，其中任一可以用1、2、3、4或5个R7取代; R2是碳环或杂环，其中任一可以用1、2、3、4或5个R8取代; R3、R4、R5和R8各自独立地是氢或R9; 而R7、R8和R9各自独立地选自有机和无机取代基，在治疗疾病中的应用，特别是由Janus激酶的酪氨酸激酶活性介导的疾病，包括JAK-2和JAK-3激酶。
• [EN] COMPOUNDS AND METHODS OF TREATING DISEASES<br/>[FR] COMPOSÉS ET MÉTHODES DE TRAITEMENT DE MALADIES
  申请人：CULLGEN SHANGHAI INC

  公开号：WO2022068933A1

  公开（公告）日：2022-04-07

  Provided are heterobifunctional compounds (e.g., bi-functional small molecule compounds), compositions comprising one or more of the heterobifunctional compounds, methods of use the heterobifunctional compounds for the treatment of certain disease in a subject in need thereof, and methods for identifying such heterobifunctional compounds.

  提供了异双功能化合物（例如，双功能小分子化合物），包含一种或多种异双功能化合物的组合物，使用异双功能化合物治疗患有某些疾病的需要的受试者的方法，以及鉴定此类异双功能化合物的方法。
• Discovery and SAR of potent, orally available 2,8-diaryl-quinoxalines as a new class of JAK2 inhibitors
  作者：Carole Pissot-Soldermann、Marc Gerspacher、Pascal Furet、Christoph Gaul、Philipp Holzer、Clive McCarthy、Thomas Radimerski、Catherine H. Regnier、Fabienne Baffert、Peter Drueckes、Gisele A. Tavares、Eric Vangrevelinghe、Francesca Blasco、Giorgio Ottaviani、Flavio Ossola、Julien Scesa、Janitha Reetz

  DOI：10.1016/j.bmcl.2010.02.056

  日期：2010.4

  We have designed and synthesized a novel series of 2,8-diaryl-quinoxalines as Janus kinase 2 inhibitors. Many of the inhibitors show low nanomolar activity against JAK2 and potently suppress proliferation of SET-2 cells in vitro. In addition, compounds from this series have favorable rat pharmacokinetic properties suitable for in vivo efficacy evaluation. (C) 2010 Elsevier Ltd. All rights reserved.